4-(Trifluoromethyl)benzyl pivalate
TL;DR: 4-(Trifluoromethyl)benzyl pivalate (CAS 155820-03-4) is a chemical compound with molecular formula C13H15F3O2 and molecular weight 260.10242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
Also Known As: 4-(trifluoromethyl)benzyl pivalate, [4-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate, Pivalic acid 4-(trifluoromethyl)benzyl ester, J3.333.555E
Technical Specifications
| Molecular Formula | C13H15F3O2 |
| Molecular Weight | 260.10242 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.10242 Da |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
| SMILES | CC(C)(C)C(=O)OCC1=CC=C(C=C1)C(F)(F)F |
| InChIKey | CYLJUQRCUPNCST-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Trifluoromethyl)benzyl pivalate
Property Insights of 4-(Trifluoromethyl)benzyl pivalate
The XLogP value of 4.5 indicates that 4-(Trifluoromethyl)benzyl pivalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Trifluoromethyl)benzyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)benzyl pivalate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Trifluoromethyl)benzyl pivalate?
The CAS number of 4-(Trifluoromethyl)benzyl pivalate is 155820-03-4.
What is the molecular formula of 4-(Trifluoromethyl)benzyl pivalate?
The molecular formula of 4-(Trifluoromethyl)benzyl pivalate is C13H15F3O2.
What is the molecular weight of 4-(Trifluoromethyl)benzyl pivalate?
The molecular weight of 4-(Trifluoromethyl)benzyl pivalate is 260.10242 g/mol.
Where can I buy 4-(Trifluoromethyl)benzyl pivalate?
You can request a quote for 4-(Trifluoromethyl)benzyl pivalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Trifluoromethyl)benzyl pivalate?
Yes, CoreyChem provides custom synthesis services for 4-(Trifluoromethyl)benzyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.